2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide

C12H11N3O2S — CID 2941370

IUPAC2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide
SMILESN#Cc1cc2c(nc1SCC(N)=O)CCCC2=O
InChIInChI=1S/C12H11N3O2S/c13-5-7-4-8-9(2-1-3-10(8)16)15-12(7)18-6-11(14)17/h4H,1-3,6H2,(H2,14,17)
InChIKeyLDMSLEPCHLFZAY-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.05
Rot. Bonds3

About 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide

2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide (PubChem CID 2941370) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide
PubChem CID2941370
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide
SMILESN#Cc1cc2c(nc1SCC(N)=O)CCCC2=O
InChIInChI=1S/C12H11N3O2S/c13-5-7-4-8-9(2-1-3-10(8)16)15-12(7)18-6-11(14)17/h4H,1-3,6H2,(H2,14,17)
InChIKeyLDMSLEPCHLFZAY-UHFFFAOYSA-N
XLogP1.05
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide (CID 2941370) is 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide is N#Cc1cc2c(nc1SCC(N)=O)CCCC2=O.
What is the InChIKey of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?
The InChIKey is LDMSLEPCHLFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-5-7-4-8-9(2-1-3-10(8)16)15-12(7)18-6-11(14)17/h4H,1-3,6H2,(H2,14,17).
What are the key properties of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?
2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide has a molecular weight of 261.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2941370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).